7-(7-hydroxyheptanoyloxy)heptanoic acid

C14H26O5 — CID 90997926

IUPAC7-(7-hydroxyheptanoyloxy)heptanoic acid
SMILESO=C(O)CCCCCCOC(=O)CCCCCCO
InChIInChI=1S/C14H26O5/c15-11-7-3-1-6-10-14(18)19-12-8-4-2-5-9-13(16)17/h15H,1-12H2,(H,16,17)
InChIKeyHZJQQDPSHXNMNB-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.51
Rot. Bonds13

About 7-(7-hydroxyheptanoyloxy)heptanoic acid

7-(7-hydroxyheptanoyloxy)heptanoic acid (PubChem CID 90997926) has the molecular formula C14H26O5 and a molecular weight of 274.36 g/mol. Its IUPAC name is 7-(7-hydroxyheptanoyloxy)heptanoic acid.

Molecular Properties

Compound Name7-(7-hydroxyheptanoyloxy)heptanoic acid
PubChem CID90997926
Molecular FormulaC14H26O5
Molecular Weight274.36 g/mol
Exact Mass274.18
IUPAC Name7-(7-hydroxyheptanoyloxy)heptanoic acid
SMILESO=C(O)CCCCCCOC(=O)CCCCCCO
InChIInChI=1S/C14H26O5/c15-11-7-3-1-6-10-14(18)19-12-8-4-2-5-9-13(16)17/h15H,1-12H2,(H,16,17)
InChIKeyHZJQQDPSHXNMNB-UHFFFAOYSA-N
XLogP2.51
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(6-hydroxyhexanoyloxy)pentanoic acid
CID 87986375
15-(15-hydroxypentadecanoyloxy)pentadecanoic acid
CID 5204801
6-[6-[6-[6-[6-[6-[6-[6-[6-(6-hydroxyhexanoyloxy)hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoic acid
CID 88979293
8-(7-hydroxyheptoxy)-8-oxooctanoic acid
CID 162853093
10-(14-hydroxytetradecoxy)-10-oxodecanoic acid;hydrate
CID 155272403
5-(22-hydroxydocosoxy)-5-oxopentanoic acid
CID 102355782
bis(bis(4-hydroxybutyl) butanedioate);hexanedioic acid
CID 174534613
ethane-1,2-diol;ethene;6-(4-hydroxybutoxy)-6-oxohexanoic acid
CID 87123027
6-[4-(5-carboxypentanoyloxy)butoxy]-6-oxohexanoic acid;ethane-1,2-diol
CID 87078345
18-(9-carboxynonanoyloxy)octadecanoic acid
CID 87097649
bis(10-hydroxydecyl) tetradecanedioate
CID 171852033
bis(7-hydroxyheptyl) icosanedioate
CID 91383667

Frequently Asked Questions

What is the IUPAC name of 7-(7-hydroxyheptanoyloxy)heptanoic acid?
The IUPAC name of 7-(7-hydroxyheptanoyloxy)heptanoic acid (CID 90997926) is 7-(7-hydroxyheptanoyloxy)heptanoic acid.
What is the SMILES notation for 7-(7-hydroxyheptanoyloxy)heptanoic acid?
The canonical SMILES for 7-(7-hydroxyheptanoyloxy)heptanoic acid is O=C(O)CCCCCCOC(=O)CCCCCCO.
What is the InChIKey of 7-(7-hydroxyheptanoyloxy)heptanoic acid?
The InChIKey is HZJQQDPSHXNMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O5/c15-11-7-3-1-6-10-14(18)19-12-8-4-2-5-9-13(16)17/h15H,1-12H2,(H,16,17).
What are the key properties of 7-(7-hydroxyheptanoyloxy)heptanoic acid?
7-(7-hydroxyheptanoyloxy)heptanoic acid has a molecular weight of 274.36 g/mol, XLogP of 2.51, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(7-hydroxyheptanoyloxy)heptanoic acid is sourced from PubChem (CID 90997926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).